(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate

C29H47N3O2 — CID 90959885

IUPAC(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
SMILESCC1(C)CC(OCc2ccccc2)CC(C)(C)N1O/C(=N/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H47N3O2/c1-28(2)20-26(33-22-23-14-8-5-9-15-23)21-29(3,4)32(28)34-27(30-24-16-10-6-11-17-24)31-25-18-12-7-13-19-25/h5,8-9,14-15,24-26H,6-7,10-13,16-22H2,1-4H3,(H,30,31)
InChIKeyYDRNDCCCIIQSRB-UHFFFAOYSA-N
MW469.71 g/mol
LogP6.77
Rot. Bonds6

About (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate

(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate (PubChem CID 90959885) has the molecular formula C29H47N3O2 and a molecular weight of 469.71 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
PubChem CID90959885
Molecular FormulaC29H47N3O2
Molecular Weight469.71 g/mol
Exact Mass469.37
IUPAC Name(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
SMILESCC1(C)CC(OCc2ccccc2)CC(C)(C)N1O/C(=N/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H47N3O2/c1-28(2)20-26(33-22-23-14-8-5-9-15-23)21-29(3,4)32(28)34-27(30-24-16-10-6-11-17-24)31-25-18-12-7-13-19-25/h5,8-9,14-15,24-26H,6-7,10-13,16-22H2,1-4H3,(H,30,31)
InChIKeyYDRNDCCCIIQSRB-UHFFFAOYSA-N
XLogP6.77
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.71
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
CID 15170011
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
azane;cyclopentyloxymethylbenzene
CID 69411306
1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
CID 22992800
N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)acetamide
CID 102049531
N-benzyl-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902705
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate?
The IUPAC name of (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate (CID 90959885) is (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate is CC1(C)CC(OCc2ccccc2)CC(C)(C)N1O/C(=N/C1CCCCC1)NC1CCCCC1.
What is the InChIKey of (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate?
The InChIKey is YDRNDCCCIIQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3O2/c1-28(2)20-26(33-22-23-14-8-5-9-15-23)21-29(3,4)32(28)34-27(30-24-16-10-6-11-17-24)31-25-18-12-7-13-19-25/h5,8-9,14-15,24-26H,6-7,10-13,16-22H2,1-4H3,(H,30,31).
What are the key properties of (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate?
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate has a molecular weight of 469.71 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 90959885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).